2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide

C22H17BrFN3O — CID 126603643

IUPAC2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1ccccc1Br
InChIInChI=1S/C22H17BrFN3O/c23-19-7-3-1-5-17(19)22(28)25-21-18-6-2-4-8-20(18)27(26-21)14-16-11-9-15(13-24)10-12-16/h1-12H,13-14H2,(H,25,26,28)
InChIKeyHGFJMBWCLWCQOR-UHFFFAOYSA-N
MW438.30 g/mol
LogP5.57
Rot. Bonds5

About 2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide

2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (PubChem CID 126603643) has the molecular formula C22H17BrFN3O and a molecular weight of 438.30 g/mol. Its IUPAC name is 2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
PubChem CID126603643
Molecular FormulaC22H17BrFN3O
Molecular Weight438.30 g/mol
Exact Mass437.05
IUPAC Name2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1ccccc1Br
InChIInChI=1S/C22H17BrFN3O/c23-19-7-3-1-5-17(19)22(28)25-21-18-6-2-4-8-20(18)27(26-21)14-16-11-9-15(13-24)10-12-16/h1-12H,13-14H2,(H,25,26,28)
InChIKeyHGFJMBWCLWCQOR-UHFFFAOYSA-N
XLogP5.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.30
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide
CID 126603628
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
CID 118466719
3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
CID 118466718
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide
CID 118466751
N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 129203011
2-bromo-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19347171
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide
CID 24954489
2-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19284205
2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 118335413
N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide
CID 118335401
N-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide
CID 165350997
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide
CID 123635821

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The IUPAC name of 2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (CID 126603643) is 2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The canonical SMILES for 2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The InChIKey is HGFJMBWCLWCQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrFN3O/c23-19-7-3-1-5-17(19)22(28)25-21-18-6-2-4-8-20(18)27(26-21)14-16-11-9-15(13-24)10-12-16/h1-12H,13-14H2,(H,25,26,28).
What are the key properties of 2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide has a molecular weight of 438.30 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is sourced from PubChem (CID 126603643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).